SCHEMBL1742889

SCHEMBL1742889

O=C(NS(=O)(=O)c1cccc2cnccc12)c1ccccc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.44
KCNA5 P22460 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SCN9A Q15858 2/20 0.40
FLT3 P36888 2/20 0.39
PRKD3 O94806 3/20 0.39
PRKCG P05129 3/20 0.39
PRKCB P05771 3/20 0.39
PRKCA P17252 3/20 0.39
PRKCH P24723 3/20 0.39
PRKCI P41743 3/20 0.39
PRKCE Q02156 3/20 0.39
PRKCQ Q04759 3/20 0.39
PRKCZ Q05513 3/20 0.39
PRKCD Q05655 3/20 0.39
PRKD1 Q15139 3/20 0.39
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1744606 0.79 LGALS8 (0.50) GPBAR1SCN9ALGALS8LGALS3PTGER3
SCHEMBL1742888 0.79 KAT6A (0.48) SCN9ACYP3A4CYP2D6LGALS8LGALS3
SCHEMBL1745458 0.74 BRAF (0.46) MEN1KMT2ABRAF
SCHEMBL1742891 0.74 MAOA (0.40) GPBAR1MAOAMAOBPRKD3PRKCG
SCHEMBL4115298 0.70 CTNNB1 (0.48) GPBAR1MAOAFLT3KMT2A
SCHEMBL30752404 0.70 CTNNB1 (0.48) GPBAR1MAOAFLT3KMT2A
SCHEMBL1958280 0.69 CTNNB1 (0.55) GPBAR1MAOA
SCHEMBL30314253 0.68 BCL2 (0.52)
SCHEMBL30313809 0.68 BCL2 (0.58)
SCHEMBL1744460 0.64 SCN9A (0.50) GPBAR1SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP claimed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US claimed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO claimed